Screen LibraryVirtual screening principles, challenges, and practical guidelines /
A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and applied in virtual sc...
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| Published: |
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| Literature type: | Electronic eBook |
| Language: | English |
| Series: |
Methods and principles in medicinal chemistry ;
v. 48 |
| Subjects: | |
| Online Access: |
http://onlinelibrary.wiley.com/book/10.1002/9783527633326 |
| Summary: |
A comprehensive and up-to-date overview, this is both a desktop reference and practical guide for virtual screening applications in drug discovery. Clearly divided into three major sections, the first on principles provides a detailed description of the methods required for and applied in virtual screening, while the second discusses the most important challenges in order to improve the impact and success of virtual screening. Finally, the third, practical part contains several case studies covering the most important scenarios for new drug discovery, accompanied by general guidelines for the entire workflow of virtual screening studies. Throughout, medicinal chemists from academia, as well as from large and small pharmaceutical companies report on their experience and pass on priceless practical advice on how to make best use of these powerful methods. Unique in its focus on the end user, this is a real "how to" book that does not presuppose prior experience in virtual screening or a background in computational chemistry. |
| Carrier Form: | 1 online resource (xxx, 519 p.) : ill. (some col.) |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: |
9783527633333 (electronic bk.) 3527633332 (electronic bk.) 3527633324 (electronic bk.) 9783527633326 (electronic bk.) |
| Index Number: | RS419 |
| CLC: | R965.1 |
| Contents: |
Virtual screening for lead discovery / Computer-aided drug discovery and development / Using active site mapping and receptor-based pharmacophore tools : prelude to docking and de novo/fragment-based ligand design / Methods for evaluation of structural and biological properties of antiinvasive natural products / Solid-phase peptide synthesis using microwave irradiation / Fluorescent and lanthanide labeling for ligand screens, assays, and imaging / DNA-directed assembly microarray for protein and small molecule inhibitor screening / Selection of peptide ligands for human placental transcytosis systems using in vitro phage display / Optimization of the tetrazolium dye (MTT) colorimetric assay for cellular growth and viability / Imaging NF-KB signaling in mice for screening anticancer drugs / Evaluation of anticancer agents using flow cytometry analysis of cancer stem cells / Chemical screening with zebrafish embryos / iTRAQ labeling coupled with LC-MALDI mass spectrometry for monitoring temporal response of colorectal cancer cells to butyrate treatment / Heterotypic cell adhesion assay for the study of cell adhesion inhibition / Evaluation of antibacterial activity of proteins and peptides using a specific animal model for wound healing / In vitro immunogenicity risk assessment of therapeutic proteins in preclinical setting / |